CID 9552805

4-(2-isonicotinoylcarbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C20H15N3O3
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H15N3O3/c24-19(16-10-12-21-13-11-16)23-22-14-15-6-8-18(9-7-15)26-20(25)17-4-2-1-3-5-17/h1-14H,(H,23,24)/b22-14+
InChIKey
XESXXGNCJARCOG-HYARGMPZSA-N
Compound name
[4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11133 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11861 180.1
[M+Na]+ 368.10055 184.9
[M-H]- 344.10405 189.3
[M+NH4]+ 363.14515 190.6
[M+K]+ 384.07449 180.7
[M+H-H2O]+ 328.10859 168.8
[M+HCOO]- 390.10953 205.0
[M+CH3COO]- 404.12518 215.8
[M+Na-2H]- 366.08600 186.0
[M]+ 345.11078 180.3
[M]- 345.11188 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.